BBJ
  CCTOOLS-0919241032

 38 39  0  0  0  0  0  0  0  0999 V2000
    4.1600   -2.3660   -0.7110 C   0  0  0  0  0
    5.2950   -1.5930   -0.8620 C   0  0  0  0  0
    4.1870    0.2490    0.2050 C   0  0  0  0  0
    3.0510   -0.5220    0.3620 C   0  0  0  0  0
    3.0330   -1.8310   -0.1010 C   0  0  0  0  0
    0.6360   -2.0040    0.1000 C   0  0  0  0  0
    0.7290    1.0410   -1.6250 O   0  0  0  0  0
    5.3100   -0.2870   -0.4040 C   0  0  0  0  0
    6.4210    0.4670   -0.5520 F   0  0  0  0  0
    4.2130    2.0320    0.8340 BR  0  0  0  0  0
    1.8800   -2.6110    0.0470 N   0  0  0  0  0
   -0.3380   -2.5740    0.7450 N   0  0  0  0  0
   -0.1000   -3.7580    1.4850 O   0  0  0  0  0
    0.4160   -0.7050   -0.5770 C   0  0  0  0  0
   -0.8430    0.0620   -0.7230 C   0  0  0  0  0
   -0.4560    1.1170   -1.4010 N   0  0  0  0  0
    1.2880    0.0570   -1.2000 N   0  0  0  0  0
   -2.1130   -0.2550   -0.2600 N   0  0  0  0  0
   -3.2340    0.6520   -0.5160 C   0  0  0  0  0
   -4.5100    0.0720    0.0970 C   0  0  0  0  0
   -5.6320    0.9790   -0.1590 N   0  0  0  0  0
   -7.1880    0.4530    0.0520 S   0  0  0  0  0
   -8.0290    1.5610   -0.2390 O   0  0  0  0  0
   -7.2840   -0.7940   -0.6220 O   0  0  0  0  0
   -7.3810    0.1300    1.6640 N   0  0  0  0  0
    4.1480   -3.3840   -1.0720 H   0  0  0  0  0
    6.1720   -2.0090   -1.3360 H   0  0  0  0  0
    2.1780   -0.1070    0.8440 H   0  0  0  0  0
   -0.8970   -4.1500    1.8670 H   0  0  0  0  0
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   -3.0250    1.6230   -0.0670 H   0  0  0  0  0
   -3.3680    0.7700   -1.5910 H   0  0  0  0  0
   -4.7200   -0.9000   -0.3520 H   0  0  0  0  0
   -4.3770   -0.0460    1.1720 H   0  0  0  0  0
   -5.4630    1.8880   -0.4520 H   0  0  0  0  0
   -6.6420    0.2640    2.2780 H   0  0  0  0  0
   -8.2340   -0.1930    1.9950 H   0  0  0  0  0
    1.9530   -3.5760    0.1110 H   0  0  0  0  0
  1  5  2  0  0  0
  1 26  1  0  0  0
  2  8  2  0  0  0
  2  1  1  0  0  0
  2 27  1  0  0  0
  3 10  1  0  0  0
  3  4  2  0  0  0
  4 28  1  0  0  0
  5  4  1  0  0  0
  5 11  1  0  0  0
  6 12  2  0  0  0
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  8  3  1  0  0  0
  9  8  1  0  0  0
 11  6  1  0  0  0
 11 38  1  0  0  0
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 17  7  1  0  0  0
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 22 23  2  0  0  0
 24 22  2  0  0  0
 25 36  1  0  0  0
 25 37  1  0  0  0
M  END
$$$$
